2025-02-01_00000151|ligand|9D7L

Minimal PutA proline dehydrogenase domain (design #2) covalently inactivated by (S)-but-3-yn-2-ylglycine; X-ray diffraction 1.68Å
Protein #1 396 residues (97% resolved)

SRPQSTLRRAITAAYRRPETECLPPLVEAATQSKEIRDAAASTARKLIEALRGKHSGSGSSGSMMGEQFVTGETIREALKRSKELEEKGFSYSYDMLGEAATTAADAERYYRDYESAIHAIGKASAGRGIYEGPGISIKLSALHPRYSRAQAARVMGELLPRVKALALLAKNYDIGLNIDAEEADRLELSLDLLEVLCLDGDLSGWNGMGFVVQAYGKRCPFVLDFIIDLARRSGRRIMVRLVKGAYWDAEIKRAQLDGLADFPVFTRKIHTDVSYIACAAKLLAATDVVFPQFATHNAQTLAAIYHMAGKDFHVGKYEFQCLHGMGEPLYEEVVGRGKLDRPCRIYAPVGTHETLLAYLVRRLLENGANSSFVHRINDPKVSIDELIADPVEVVR

SRPQSTLRRAITAAYRRPETECLPPLVEAATQSKEIRDAAASTARKLIEALRGKHSGSGSSGSMMGEQFVTGETIREALKRSKELEEKGFSYSYDMLGEAATTAADAERYYRDYESAIHAIGKASAGRGIYEGPGISIKLSALHPRYSRAQAARVMGELLPRVKALALLAKNYDIGLNIDAEEADRLELSLDLLEVLCLDGDLSGWNGMGFVVQAYGKRCPFVLDFIIDLARRSGRRIMVRLVKGAYWDAEIKRAQLDGLADFPVFTRKIHTDVSYIACAAKLLAATDVVFPQFATHNAQTLAAIYHMAGKDFHVGKYEFQCLHGMGEPLYEEVVGRGKLDRPCRIYAPVGTHETLLAYLVRRLLENGANSSFVHRINDPKVSIDELIADPVEVVR
Non polymer #2 A1BC6

InChI=1S/C33H42N10O17P2/c1-14-6-17-18(7-15(14)2)42(30-24(31(51)40-33(52)39-30)41(17)5-4-16(3)35-8-22(46)47)9-19(44)25(48)20(45)10-57-61(53,54)60-62(55,56)58-11-21-26(49)27(50)32(59-21)43-13-38-23-28(34)36-12-37-29(23)43/h4-7,12-13,19-21,25-27,32,44-45,48-50H,8-11H2,1-3H3,(H,46,47)(H,53,54)(H,55,56)(H2,34,36,37)(H2,39,40,51,52)/b5-4+,35-16?/t19-,20+,21+,25-,26+,27+,32+/m0/s1

Cc1cc2c(cc1C)N(C3=C(N2C[C@@H]([C@@H]([C@@H](COP(=O)(O)OP(=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O)NC(=O)NC3=O)/C=C/C(=NCC(=O)O)C
Non polymer #3 FMT

InChI=1S/CH2O2/c2-1-3/h1H,(H,2,3)

C(=O)O
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Reference